On 23 juil, 07:51, Fatemeh <fateme.mirj...@[EMAIL PROTECTED]
> wrote:
> Dear all;
> I have written a simple program and called FFTW in it.
> but I envisaged Segmentation Fault after "CALL dfftw_execute(plan)"
> Is there anyone who can guide me where have I made a mistake?
> ------------------------
> program test
> implicit none
> include "fftw3.f"
> integer::u,jatom,nat,h,functn,pp,ind1,ind2,ind3,nx,ny,nz,counter
> real::i,j,k,rx,ry,rz,originx,originy,originz,te,tee
> real,allocatable::struct(:,:),tau(:,:),r0(:,:)
> complex,dimension(100,100,100)::dat,der
> INTEGER*8 plan
> read(88,*)nat
> allocate(struct(nat,6),tau(4,3),r0(nat,3))
> do pp=1,4
> read(55,*)(tau(pp,h),h=1,3)
> end do
> originx=tau(3,1)
> originy=tau(3,2)
> originz=tau(3,3)
> do jatom=1,nat
> r0(jatom,1)=tau(jatom,1)-originx
> r0(jatom,2)=tau(jatom,2)-originy
> r0(jatom,3)=tau(jatom,3)-originz
> read(666,*)(struct(jatom,h),h=1,6)
> end do
> nx=100;ny=100;nz=100
> counter=1
> i=0;j=0;k=0
> do ind1=1,nx
> i=i+0.1065
> do ind2=1,ny
> j=j+0.1065
> do ind3=1,nz
> k=k+0.1065
> rx=i-originx
> ry=j-originy
> rz=k-originz
> u=0
> do jatom=1,nat
> tee=struct(jatom,4) !*0.529177249
> te=sqrt((rx-r0(jatom,1))**2+(ry-r0(jatom,2))**2+(rz-
> r0(jatom,3))**2)
> if (te.GT.tee) u=u+1
> end do
> if (u==3)then
> dat(ind1,ind2,ind3)=(1.0,0.0)
> else
> dat(ind1,ind2,ind3)=(0.0,0.0)
> end if
> write(36,*)dat(ind1,ind2,ind3)
> counter=counter+1
> end do
> k=0
> end do
> j=0
> end do
> CALL
> dfftw_plan_dft_3d(plan,nx,ny,nz,dat,der,FFTW_BACKWARD,FFTW_ESTIMATE)
> print*,"111"
> CALL dfftw_execute(plan)
> print*,"222"
> CALL dfftw_destroy_plan(plan)
> print*,"END"
> end program test
> ------------------------------------
> the program can print "111" , but it isn't able to print "222".
>
> I'm anxiously looking forward your reply and guidelines.
> with best regards,
> Fatemeh
Are you sure that the Real and Complex arrays are simple precision ?
This is very unusual in scientific codes ! I don't know the FFTW
library but I suspect the array declarations to be wrong :
INTEGER, PARAMETER :: dp=SELECTED_REAL_KIND(15,100)
REAL(dp) ,... :: ...
COMPLEX(dp),... :: ...
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